4-(3,5-dimethylphenyl)-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carbothioamide

Systemtic Name: 4-(3,5-dimethylphenyl)-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carbothioamide Openeye Name: 4-(3,5-dimethylphenyl)-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carbothioamide CAS Name: 4-(3,5-dimethylphenyl)-N-(3-methoxy-2-quinoxalinyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,5-dimethylphenyl)-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carbothioamide Traditional Name: 4-(3,5-dimethylphenyl)-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carbothioamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCN(CC2)C(=S)NC3=NC4=CC=CC=C4N=C3OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCN(CC2)C(=S)NC3=NC4=CC=CC=C4N=C3OC)C

InChI

InChI=1S/C22H25N5OS/c1-15-12-16(2)14-17(13-15)26-8-10-27(11-9-26)22(29)25-20-21(28-3)24-19-7-5-4-6-18(19)23-20/h4-7,12-14H,8-11H2,1-3H3,(H,23,25,29)